General Information of the Compound
| Compound ID |
CP0501178
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| Compound Name |
3-[[(E)-3-[4-(5-phenylpentoxy)phenyl]prop-2-enyl]amino]propanoic acid
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| Structure |
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| Formula |
C23H29NO3
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| Molecular Weight |
367.489
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| Canonical SMILES |
OC(=O)CCNC\C=C\c1ccc(OCCCCCc2ccccc2)cc1
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| InChI |
InChI=1S/C23H29NO3/c25-23(26)16-18-24-17-7-11-21-12-14-22(15-13-21)27-19-6-2-5-10-20-8-3-1-4-9-20/h1,3-4,7-9,11-15,24H,2,5-6,10,16-19H2,(H,25,26)/b11-7+
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| InChIKey |
LVNIRKVTQANHFY-YRNVUSSQSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3